(4R,5S)-(+)-CIS-4,5-디페닐-2-옥사졸리디논
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
기본 정보
- CAS
86286-50-2- 표준 SMILES
O=C1N[C@H](c2ccccc2)[C@H](c2ccccc2)O1- InChIKey
LTENIVFVXMCOQI-KGLIPLIRSA-N- 분자식
- C15H13NO2
- 평균 분자량
- 239.27 g/mol
- 단동위원소 질량
- 239.09462866
이름 및 식별자
- 우선 이름
- (4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
- IUPAC
- (4R,5S)-4,5-diphenyl-1,3-oxazolidin-2-one
- 현지명
- (4R,5S)-(+)-CIS-4,5-디페닐-2-옥사졸리디논
- 영어명
- (4R,5S)-(+)-CIS-4,5-DIPHENYL-2-OXAZOLIDINONE
- 분자식
- C15H13NO2
- 분자량
- 239.27
이름 및 동의어
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinoneRefChem:403337623-039-086286-50-2(4R,5S)-cis-4,5-Diphenyloxazolidin-2-one(4R,5S)-4,5-DIPHENYLOXAZOLIDIN-2-ONE(4R,5S)-4,5-Diphenyl-1,3-oxazolidin-2-oneMFCD00674023(4R5S)-45-Diphenyl-2-oxazolidinone(4S,5R)-cis-4,5-Diphenyloxazolidin-2-oneSCHEMBL2798313DTXSID40446504
이름 더 보기
(4R,5S)-(+)-CIS-4,5-디페닐-2-옥사졸리디논4,5-diphenyl-2-oxazolidinone(4R,5S)-4,5-Diphenyl-2-oxazolidinone2-Oxazolidinone, 4,5-diphenyl-, (4R,5S)-(4R,5S)-4,5-Diphenyl-2-oxazolidinone,99%e.e.(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone, ee: 98%(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone, 98%, ee: 98%
AKOS0159174162-Oxazolidinone, 4,5-diphenyl-, cis-4,5-Diphenyl-1,3-oxazolidin-2-one #AS-43483SY077818(4r,5s)-4,5-dipheny-loxazolidin-2-oneF219910(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone, 98%
데이터베이스 식별자
- CAS
86286-50-2- PubChem CID
- 10868374
- DTXSID
DTXSID40446504- EC Number
- 623-039-0
- Nikkaji
- J411.757C
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 293
물리화학적 성질
- 녹는점
- 227 · 227-230 °C (lit.)
- 끓는 점
- 466.6 · 466.6±45.0 °C(Predicted)
- 밀도
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.56 · 11.56±0.60(Predicted)
- InChI
- 1S/C15H13NO2/c17-15-16-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10,13-14H,(H,16,17)/t13-,14+/m1/s1
- InChIKey
- LTENIVFVXMCOQI-KGLIPLIRSA-N
- SMILES
- O=C1N[C@@H]([C@@H](O1)c2ccccc2)c3ccccc3
화학적 성질
White powder or crystal
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29029090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Versatile chiral auxiliary for asymmetric synthesis. For a recent review, see Aldrichimica Acta .
제조 방법
To a stirred suspension of commercially available (10.0 g, 47 mmol) and triethylamine (14.4 mL, 0.10 mol) in dichloromethane (100 mL), diphosgene (3.0 mL, 25 mmol) was added dropwise at 0 °C and the mixture was stirred for 1 h at the same temperature. After concentration in vacuo, the residue was poured into water to precipitate crystals. The crystals were collected by filtration, successively washed with 10% HCl and H2O, and dried in vacuo at 50–60 °C for 3 h to afford 593a as colorless crystals (10.9 g, 97%).
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